3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide

C16H17ClN2O2S — CID 42931061

IUPAC3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1Cl)c1cccs1
InChIInChI=1S/C16H17ClN2O2S/c1-11(20)19-14(15-7-4-8-22-15)9-16(21)18-10-12-5-2-3-6-13(12)17/h2-8,14H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyLJJVHDSEHZFMDU-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.29
Rot. Bonds6

About 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 42931061) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID42931061
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC Name3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1Cl)c1cccs1
InChIInChI=1S/C16H17ClN2O2S/c1-11(20)19-14(15-7-4-8-22-15)9-16(21)18-10-12-5-2-3-6-13(12)17/h2-8,14H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyLJJVHDSEHZFMDU-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
3-acetamido-N-(1-benzothiophen-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 71894859
N-[2-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]ethyl]-2-methylpropanamide
CID 43039868
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
(3S)-3-acetamido-N-[(2-methoxy-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 38535821
(3R)-3-acetamido-3-thiophen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 26127796
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
(3R)-3-acetamido-N-(isoquinolin-1-ylmethyl)-3-thiophen-2-ylpropanamide
CID 26072257
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]-2-methylpropanoic acid
CID 62674240
3-acetamido-N-(2,3-dihydroxypropyl)-3-thiophen-2-ylpropanamide
CID 66174989
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide (CID 42931061) is 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)NCc1ccccc1Cl)c1cccs1.
What is the InChIKey of 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is LJJVHDSEHZFMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-11(20)19-14(15-7-4-8-22-15)9-16(21)18-10-12-5-2-3-6-13(12)17/h2-8,14H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 336.84 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(2-chlorophenyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42931061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).